UCSF

ZINC01055865

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2004 14 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.40 1.32 -5.69 0 1 0 4 185.27 0

Vendor Notes

Note Type Comments Provided By
mp 52 MolMall (formerly Molecular Diversity Preservation International)
PUBCHEM_PATENT_ID EP0115607A1; US4547576; US4618614; US4698351 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )